Switching properties of Li–benzene complexes in a uniform electric field: a case where a “small” change makes a big difference
文献情報
The effect of a homogeneous static electric field on the Li–benzene complex in two configurations, one with a larger Li–C6H6 distance (“loose”) and one with a shorter distance (“tight”), has been investigated. The electric field has the same orientation as the direction of the dipole moments of the complexes. When the direction of the field intensity vector was the same as that of the dipole moment vector, optimization of the complex's geometry in one configuration resulted in switching it to the other one. Reversing the direction of the field then transformed the other configuration back to the original one. This switching behavior was observed beginning with the loose configuration and with the tight configuration. The geometrical and electronic parameters of the complex after four steps of the reversible switching have been calculated for a selected field intensity of 0.005 atomic units (a.u.), that is 0.257 V Å−1.
関連文献
Decarboxylative acylation of N-free indoles enabled by a catalytic amount of copper catalyst and liquid-assisted grinding
Jingbo Yu, Chao Zhang, Xinjie Yang, Weike Su
DOI: 10.1039/C9OB00622B
Synthesis of amino acid derivatives of 5-alkoxy-3,4-dihalo-2(5H)-furanones and their preliminary bioactivity investigation as linkers
Jian-Yun Lin, Juan-Juan Gao, Xin-Yan Wu
DOI: 10.1039/C9OB00736A
Dehydroamino acids: chemical multi-tools for late-stage diversification
Jonathan W. Bogart, Albert A. Bowers
DOI: 10.1039/C8OB03155J
Direct access to benzofuro[2,3-b]quinoline and 6H-chromeno[3,4-b]quinoline cores through gold-catalyzed annulation of anthranils with arenoxyethynes and aryl propargyl ethers
Manoj D. Patil, Rai-Shung Liu
DOI: 10.1039/C9OB00468H
Design of S–S bond containing maleimide-conjugated closo-dodecaborate (SSMID): identification of unique modification sites on albumin and investigation of intracellular uptake
Shinichi Sato, Hiroya Asami, Tomoko Hasegawa, Jun-Ya Kohno, Hiroyuki Nakamura
DOI: 10.1039/C9OB00584F
Predictive chirality sensing via Schiff base formation
Samantha L. Pilicer, Michele Mancinelli, Andrea Mazzanti, Christian Wolf
DOI: 10.1039/C9OB01265F
Late stage functionalization of heterocycles using hypervalent iodine(iii) reagents
Rajnish Budhwan, Suman Yadav, Sandip Murarka
DOI: 10.1039/C9OB00694J
N-Heterocyclic carbene-catalyzed diastereoselective synthesis of sulfenylated indanes via sulfa-Michael–Michael (aldol) cascade reactions
Ze-Nan Feng, Jin-Yun Luo, Yang Zhang, Guang-Fen Du, Lin He
DOI: 10.1039/C9OB00210C
Recent advances in photocatalytic manipulations of Rose Bengal in organic synthesis
Shivani Sharma, Anuj Sharma
DOI: 10.1039/C9OB00092E
こちらもおすすめ
2,5-二羧基氟苯の市場動向や研究トレンドはどうですか?
2,5-二羧基氟苯の市場は、主に医薬品および農薬の研究開発において伸長しています。一方、環境への影響や安全性の懸念から、その使用は一定の制限が置かれています。今...
8-甲基-2-噻吩-2-基-喹啉-4-羧酸を含む廃棄物はどのように処理すべきですか?
8-甲基-2-噻吩-2-基-喹啉-4-羧酸を含む廃棄物は専門的な廃棄処理が必要です。具体的には、廃棄物は密閉の容器に収集し、適切な危険物対策を講じて専門業者に引...
2-(1,3-二氧杂烷-2-基)噻唑の物理化学的性質は何ですか?
CAS番号24295-04-3の2-(1,3-二氧杂烷-2-基)噻唑は、結晶形態により白色粉末を呈します。分子量は208.23 g/molであり、水に溶けにくい...
L-beta-高酪氨酸塩酸塩は安全ですか?
L-beta-高酪氨酸塩酸塩自体は毒性は低く、しかし使用する際は適切な個人保護具を使用し、誤飲や皮膚への接触を避けることが推奨されます。
睡茄灯笼草素Cはどのように合成されますか?
睡茄灯笼草素Cは、シクラメンケチャナfromaceaeから抽出する方法や、化学合成法で合成することができます。典型的な化学合成法では、3β,22-二オキシエクス...
4-(嘧啶-2-基)哌嗪-1-羧酸叔丁酯はどのように保存すればよいですか?
4-(嘧啶-2-基)哌嗪-1-羧酸叔丁酯は直射日光を避けて、室温で保存するのが良いです。湿度を避けて密閉容器に入れて保管し、未使用の状態で長期保存することができ...
NBI-74330の主な用途は何ですか?
NBI-74330は主に薬理学研究および医療用途に使用されています。その主な用途は抗がん作用を有するため、がん治療の研究に使用されています。
6-トリフルオロメチル-2-クロロピリジン-4-ボリリック酸はどのように合成されますか?
6-トリフルオロメチル-2-クロロピリジン-4-ボリリック酸は、6-トリフルオロメチル-2-クロロピリジンとボリルリチウムを触媒なしで反応させることで合成するこ...
掲載誌
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














